Molecule

ID:25910

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8,10H,2-4,9H2,1H3
InChIKey
YAPVGSXODFOBBR-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)C=O
Isomeric Smiles
O=Cc1ccc(cc1)OCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2965446
LogD (pH = 7.4)
3.2965446
Log P
3.2965446
Molar Refractivity
57.5798
Polarizability
22.10682
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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